1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carboxamide

C15H12ClN5O2 — CID 171779048

IUPAC1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carboxamide
SMILESCOc1cc(-c2cc(Cl)ccc2-n2cc(C(N)=O)nn2)ccn1
InChIInChI=1S/C15H12ClN5O2/c1-23-14-6-9(4-5-18-14)11-7-10(16)2-3-13(11)21-8-12(15(17)22)19-20-21/h2-8H,1H3,(H2,17,22)
InChIKeyKFMVEFYQSCVBDW-UHFFFAOYSA-N
MW329.75 g/mol
LogP2.09
Rot. Bonds4

About 1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carboxamide

1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carboxamide (PubChem CID 171779048) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is 1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carboxamide
PubChem CID171779048
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC Name1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carboxamide
SMILESCOc1cc(-c2cc(Cl)ccc2-n2cc(C(N)=O)nn2)ccn1
InChIInChI=1S/C15H12ClN5O2/c1-23-14-6-9(4-5-18-14)11-7-10(16)2-3-13(11)21-8-12(15(17)22)19-20-21/h2-8H,1H3,(H2,17,22)
InChIKeyKFMVEFYQSCVBDW-UHFFFAOYSA-N
XLogP2.09
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carbonitrile
CID 171779034
4-[2-(4-bromotriazol-1-yl)-5-chlorophenyl]-6-methoxypyrimidine
CID 118277210
4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-ethenyl-2-methoxypyridine
CID 167169918
methyl 1-(2,5-dichlorophenyl)triazole-4-carboxylate
CID 122241295
ethyl 1-[4-chloro-2-(6-oxo-1H-pyrimidin-4-yl)phenyl]triazole-4-carboxylate
CID 137135843
[1-[4-chloro-2-(6-methoxypyrimidin-4-yl)phenyl]triazol-4-yl]-dimethylsulfanium
CID 146838452
4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-6-methoxypyrimidine
CID 118277361
5-chloro-2-(4-chlorotriazol-1-yl)benzamide
CID 167015047
ethyl 1-(5-chloro-2-methylphenyl)triazole-4-carboxylate
CID 122241259
1-[2-[(2,5-dichlorophenyl)methyl]-1,3-dioxoisoindol-4-yl]triazole-4-carboxamide
CID 126721015
4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-1-methylpyrimidin-2-one
CID 167170017
1-(4-chloro-2-iodophenyl)triazole-4-carboxylic acid
CID 107626200

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carboxamide (CID 171779048) is 1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carboxamide is COc1cc(-c2cc(Cl)ccc2-n2cc(C(N)=O)nn2)ccn1.
What is the InChIKey of 1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carboxamide?
The InChIKey is KFMVEFYQSCVBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c1-23-14-6-9(4-5-18-14)11-7-10(16)2-3-13(11)21-8-12(15(17)22)19-20-21/h2-8H,1H3,(H2,17,22).
What are the key properties of 1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carboxamide?
1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carboxamide has a molecular weight of 329.75 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 171779048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).